C607-1065 Screening compound: N-(4-bromobenzenesulfonyl)-4-(2,3-dimethylphenyl)piperazine-1-carboximidamide

C607-1065 Screening compound: N-(4-bromobenzenesulfonyl)-4-(2,3-dimethylphenyl)piperazine-1-carboximidamide
C607-1065 Screening compound: N-(4-bromobenzenesulfonyl)-4-(2,3-dimethylphenyl)piperazine-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-1065
N-(4-bromobenzenesulfonyl)-4-(2,3-dimethylphenyl)piperazine-1-carboximidamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C607-1065

Molecular Formula

C19H23BrN4O2S (C19 H23 BrN4 O2 S)

Compound Name

N-(4-bromobenzenesulfonyl)-4-(2,3-dimethylphenyl)piperazine-1-carboximidamide

IUPAC name

N-(4-bromobenzenesulfonyl)-4-(23-dimethylphenyl)piperazine-1-carboximidamide

SMILES

Cc1cccc(N(CC2)CCN2C(NS(c(cc2)ccc2Br)(=O)=O)=N)c1C

InChI

InChI=1S/C19H23BrN4O2S/c1-14-4-3-5-18(15(14)2)23-10-12-24(13-11-23)19(21)22-27(25,26)17-8-6-16(20)7-9-17/h3-9H,10-13H2,1-2H3,(H2,21,22)

InChI Key

BGVLHSVQNVOKAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.10

Polar Surface Area

64.957

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C607-1065 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C607-1065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-1065?
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What is the minimum amount of C607-1065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-1065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-1065
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C607-1065 available by request